N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide

C15H19N3O3 — CID 111113250

IUPACN-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide
SMILESCc1cc(CNc2ccc(C(=O)NC(C)CO)cc2)no1
InChIInChI=1S/C15H19N3O3/c1-10(9-19)17-15(20)12-3-5-13(6-4-12)16-8-14-7-11(2)21-18-14/h3-7,10,16,19H,8-9H2,1-2H3,(H,17,20)
InChIKeyQKRZLMXSJPQYIL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.71
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide

N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide (PubChem CID 111113250) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide
PubChem CID111113250
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide
SMILESCc1cc(CNc2ccc(C(=O)NC(C)CO)cc2)no1
InChIInChI=1S/C15H19N3O3/c1-10(9-19)17-15(20)12-3-5-13(6-4-12)16-8-14-7-11(2)21-18-14/h3-7,10,16,19H,8-9H2,1-2H3,(H,17,20)
InChIKeyQKRZLMXSJPQYIL-UHFFFAOYSA-N
XLogP1.71
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 95765057
4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide
CID 111970105
N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide
CID 97221268
(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880494
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 93081126
N-[(5-methyl-1,2-oxazol-3-yl)methyl]naphthalen-2-amine
CID 60685428
4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934712
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846
4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 86929167

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide (CID 111113250) is N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide is Cc1cc(CNc2ccc(C(=O)NC(C)CO)cc2)no1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide?
The InChIKey is QKRZLMXSJPQYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(9-19)17-15(20)12-3-5-13(6-4-12)16-8-14-7-11(2)21-18-14/h3-7,10,16,19H,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide?
N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide has a molecular weight of 289.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide is sourced from PubChem (CID 111113250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).